8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-amine;molecular hydrogen

C17H17N5 — CID 177212480

IUPAC8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-amine;molecular hydrogen
SMILESCNc1ccc(C#Cc2cnc(C)c3cnc(N)cc23)nc1.[H][H]
InChIInChI=1S/C17H15N5.H2/c1-11-16-10-22-17(18)7-15(16)12(8-20-11)3-4-13-5-6-14(19-2)9-21-13;/h5-10,19H,1-2H3,(H2,18,22);1H
InChIKeyYBBKYEMWRGYRDC-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.60
Rot. Bonds1

About 8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-amine;molecular hydrogen

8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-amine;molecular hydrogen (PubChem CID 177212480) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-amine;molecular hydrogen.

Molecular Properties

Compound Name8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-amine;molecular hydrogen
PubChem CID177212480
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-amine;molecular hydrogen
SMILESCNc1ccc(C#Cc2cnc(C)c3cnc(N)cc23)nc1.[H][H]
InChIInChI=1S/C17H15N5.H2/c1-11-16-10-22-17(18)7-15(16)12(8-20-11)3-4-13-5-6-14(19-2)9-21-13;/h5-10,19H,1-2H3,(H2,18,22);1H
InChIKeyYBBKYEMWRGYRDC-UHFFFAOYSA-N
XLogP2.60
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 177212968
1-N-methyl-4-(2-pyridin-2-ylethynyl)-2,7-naphthyridine-1,6-diamine
CID 178122752
4-[2-[5-(azetidin-3-yloxy)-2-pyridinyl]ethynyl]-1-N-methyl-2,7-naphthyridine-1,6-diamine
CID 170626460
N-[5-[2-(5-hydroxy-2-pyridinyl)ethynyl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 177212890
3-[6-[2-(1,6-dimethyl-2,7-naphthyridin-4-yl)ethynyl]-3-pyridinyl]-6-methyloxan-3-ol
CID 177212726
6-[2-(1,6-dimethyl-2,7-naphthyridin-4-yl)ethynyl]-4-(oxan-4-yl)pyridin-3-ol
CID 177212780
4-[2-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)ethynyl]-1-N-methyl-2,7-naphthyridine-1,6-diamine
CID 170627003
8-N-methyl-5-[2-[5-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-pyridinyl]ethynyl]pyrido[3,4-c]pyridazine-3,8-diamine
CID 178122106
N-[8-methyl-5-[2-[5-[(5S)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 177212893
4-[2-[2-(difluoromethyl)-3-methylbenzimidazol-5-yl]ethynyl]-1-N-methyl-2,7-naphthyridine-1,6-diamine
CID 170627356
5-ethynyl-N,6-dimethylpyridin-3-amine
CID 138985704
6-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-3-amine
CID 58362608

Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-amine;molecular hydrogen?
The IUPAC name of 8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-amine;molecular hydrogen (CID 177212480) is 8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-amine;molecular hydrogen.
What is the SMILES notation for 8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-amine;molecular hydrogen?
The canonical SMILES for 8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-amine;molecular hydrogen is CNc1ccc(C#Cc2cnc(C)c3cnc(N)cc23)nc1.[H][H].
What is the InChIKey of 8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-amine;molecular hydrogen?
The InChIKey is YBBKYEMWRGYRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5.H2/c1-11-16-10-22-17(18)7-15(16)12(8-20-11)3-4-13-5-6-14(19-2)9-21-13;/h5-10,19H,1-2H3,(H2,18,22);1H.
What are the key properties of 8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-amine;molecular hydrogen?
8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-amine;molecular hydrogen has a molecular weight of 291.36 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-amine;molecular hydrogen is sourced from PubChem (CID 177212480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).